Consistent embedding frameworks for predictive multi-theory multiscale simulations

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

In this chapter, we present the predictive multi-theory multiscale framework called consistent embedding. The characteristics of a consistently embedded set of theories is defined and illustrated by four examples. These examples show the coupling between quantum mechanical and atomistic scales, short and long time microstructural evolution, and chemical reactivity and flow dynamics. A final example carries a cautionary message in that all embedding are not necessarily consistent. Overlapping tests are essential to the establishment of a predictive multi-theory multiscale simulation.

Original languageEnglish (US)
Title of host publicationSpringer Series in Materials Science
PublisherSpringer Verlag
Pages249-297
Number of pages49
Volume226
DOIs
StatePublished - 2016

Publication series

NameSpringer Series in Materials Science
Volume226
ISSN (Print)0933033X

ASJC Scopus subject areas

  • Materials Science(all)

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  • Cite this

    Muralidharan, K., Runge, K. A., & Deymier, P. A. (2016). Consistent embedding frameworks for predictive multi-theory multiscale simulations. In Springer Series in Materials Science (Vol. 226, pp. 249-297). (Springer Series in Materials Science; Vol. 226). Springer Verlag. https://doi.org/10.1007/978-3-319-24529-4_6